[cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine

C12H19IN2S — CID 105330732

IUPAC[cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine
SMILESNNC(c1csc(I)c1)C1CCCCCC1
InChIInChI=1S/C12H19IN2S/c13-11-7-10(8-16-11)12(15-14)9-5-3-1-2-4-6-9/h7-9,12,15H,1-6,14H2
InChIKeyYMQSVZUGSUWTSA-UHFFFAOYSA-N
MW350.27 g/mol
LogP3.83
Rot. Bonds3

About [cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine

[cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine (PubChem CID 105330732) has the molecular formula C12H19IN2S and a molecular weight of 350.27 g/mol. Its IUPAC name is [cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine
PubChem CID105330732
Molecular FormulaC12H19IN2S
Molecular Weight350.27 g/mol
Exact Mass350.03
IUPAC Name[cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine
SMILESNNC(c1csc(I)c1)C1CCCCCC1
InChIInChI=1S/C12H19IN2S/c13-11-7-10(8-16-11)12(15-14)9-5-3-1-2-4-6-9/h7-9,12,15H,1-6,14H2
InChIKeyYMQSVZUGSUWTSA-UHFFFAOYSA-N
XLogP3.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine
CID 105330730
[cyclopentyl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105204481
2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine
CID 115847501
2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol
CID 115789854
[cyclohexyl(1,3-thiazol-5-yl)methyl]hydrazine
CID 105253748
N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988096
[(3-chloro-4-iodophenyl)-cyclopentylmethyl]hydrazine
CID 103217237
[(4-cyclobutylphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105338208
[cyclooctyl-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 105255192
1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65399489
[1-benzothiophen-3-yl(cyclohexyl)methyl]hydrazine
CID 105282068
[cyclopentyl(1,3-thiazol-5-yl)methyl]hydrazine
CID 105253671

Frequently Asked Questions

What is the IUPAC name of [cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine?
The IUPAC name of [cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine (CID 105330732) is [cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine is NNC(c1csc(I)c1)C1CCCCCC1.
What is the InChIKey of [cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine?
The InChIKey is YMQSVZUGSUWTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN2S/c13-11-7-10(8-16-11)12(15-14)9-5-3-1-2-4-6-9/h7-9,12,15H,1-6,14H2.
What are the key properties of [cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine?
[cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine has a molecular weight of 350.27 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 105330732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).